1-carboxyoxyethyl prop-2-enoate

C6H8O5 — CID 19808593

IUPAC1-carboxyoxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OC(=O)O
InChIInChI=1S/C6H8O5/c1-3-5(7)10-4(2)11-6(8)9/h3-4H,1H2,2H3,(H,8,9)
InChIKeyRNGYMTVWGQGCNV-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.76
Rot. Bonds3

About 1-carboxyoxyethyl prop-2-enoate

1-carboxyoxyethyl prop-2-enoate (PubChem CID 19808593) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 1-carboxyoxyethyl prop-2-enoate.

Molecular Properties

Compound Name1-carboxyoxyethyl prop-2-enoate
PubChem CID19808593
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name1-carboxyoxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OC(=O)O
InChIInChI=1S/C6H8O5/c1-3-5(7)10-4(2)11-6(8)9/h3-4H,1H2,2H3,(H,8,9)
InChIKeyRNGYMTVWGQGCNV-UHFFFAOYSA-N
XLogP0.76
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,3-Diacetoxypropene
CID 61226
1-Hydroxybutyl 2-propenoate
CID 3016641
1-Prop-2-enoyloxybutyl prop-2-enoate
CID 10241834
Hydroxy-ethyl-methyl acrylate
CID 11320950
alpha-Hydroxyethylacrylate
CID 14047273
2,2-Dimethoxyethyl prop-2-enoate
CID 14764849
Methoxymethyl prop-2-enoate
CID 14987130
Methylene glycol bisacrylate
CID 15918993
Oxyethoxyethyl acrylate
CID 20195709
1-Ethoxyprop-2-enylideneoxidanium
CID 21363484
1,3-Dihydroxypropyl acrylate
CID 22662497
1-Prop-2-enoyloxyethyl prop-2-enoate
CID 20085938

Frequently Asked Questions

What is the IUPAC name of 1-carboxyoxyethyl prop-2-enoate?
The IUPAC name of 1-carboxyoxyethyl prop-2-enoate (CID 19808593) is 1-carboxyoxyethyl prop-2-enoate.
What is the SMILES notation for 1-carboxyoxyethyl prop-2-enoate?
The canonical SMILES for 1-carboxyoxyethyl prop-2-enoate is C=CC(=O)OC(C)OC(=O)O.
What is the InChIKey of 1-carboxyoxyethyl prop-2-enoate?
The InChIKey is RNGYMTVWGQGCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-3-5(7)10-4(2)11-6(8)9/h3-4H,1H2,2H3,(H,8,9).
What are the key properties of 1-carboxyoxyethyl prop-2-enoate?
1-carboxyoxyethyl prop-2-enoate has a molecular weight of 160.12 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carboxyoxyethyl prop-2-enoate is sourced from PubChem (CID 19808593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).